Kkkkvvaatykkkk

Structural Information

Molecular Formula

C₇₇H₁₄₂N₂₂O₁₇

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C77H142N22O17/c1-45(2)61(98-75(113)62(46(3)4)97-72(110)58(30-14-22-42-84)93-69(107)55(27-11-19-39-81)90-67(105)53(25-9-17-37-79)89-66(104)52(86)24-8-16-36-78)74(112)88-47(5)64(102)87-48(6)65(103)99-63(49(7)100)76(114)96-60(44-50-32-34-51(101)35-33-50)73(111)94-56(28-12-20-40-82)70(108)91-54(26-10-18-38-80)68(106)92-57(29-13-21-41-83)71(109)95-59(77(115)116)31-15-23-43-85/h32-35,45-49,52-63,100-101H,8-31,36-44,78-86H2,1-7H3,(H,87,102)(H,88,112)(H,89,104)(H,90,105)(H,91,108)(H,92,106)(H,93,107)(H,94,111)(H,95,109)(H,96,114)(H,97,110)(H,98,113)(H,99,103)(H,115,116)/t47-,48-,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1

InChIKey

DIIYPTJWTADCMG-PCLNXARASA-N

Compound name

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 16072959